Basic information
- CAS
29263-94-3- Standard SMILES
CCOC(=O)C(C)(Br)C(=O)OCC- InChIKey
CSLQAXTUGPUBCW-UHFFFAOYSA-N- Molecular formula
- C8H13BrO4
- Average molar mass
- 253.09 g/mol
- Monoisotopic mass
- 251.999721
Names & identifiers
- Preferred name
- Diethyl bromomethylmalonate
- IUPAC
- diethyl 2-bromo-2-methylpropanedioate
- English name
- Diethyl 2-bromo-2-methylmalonate
- Molecular formula
- C8H13BrO4
- Molecular weight
- 253.09
Names & synonyms
Diethyl bromomethylmalonateEINECS 249-541-6DTXSID90183518NSC 10117RefChem:587197DTXCID30106009249-541-6Diethyl 2-bromo-2-methylmalonate29263-94-3diethyl 2-bromo-2-methylpropanedioate1,3-diethyl 2-bromo-2-methylpropanedioateDiethyl2-bromo-2-methylmalonate
Show more names
Diethyl 2-bromoDiethyl-2-Bro-2-MethylmalonateDiethyl 2-bromo-2-methylmaloteDiethyl a-bromo-a-methylmalonateDiethyl2-Bromo-2-methylmalonate>iethyl2-bromo-2-methylpropanedioateDiethyl 2-broMo-2-MethylMalonate 98%
2-bromo-2-methylmalonic acid diethyl esterMFCD00009125Propanedioic acid, 2-bromo-2-methyl-, 1,3-diethyl esterDiethyl methylbromomalonatediethyl-2-bromo-2-methyl malonateNSC-101172-bromo-2-methylpropanedioic acid diethyl esterA819852
Database identifiers
- CAS
29263-94-3- PubChem CID
- 94944
- DTXSID
DTXSID90183518- UNII
- 67S27Y2PKN
- EC Number
- 249-541-6
- Nikkaji
- J591.349G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Physicochemical properties
- Boiling point
- 105 · 105-106 °C (5 mmHg)
- Density
- 1.325 g/mL · 1.325 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.449(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- color
- Colorless to Almost colorless
- BRN
- 1779673 · 1779673
- InChI
- 1S/C8H13BrO4/c1-4-12-6(10)8(3,9)7(11)13-5-2/h4-5H2,1-3H3
- InChIKey
- CSLQAXTUGPUBCW-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C(C)(Br)C(=O)OCC
- CAS DataBase Reference
- 29263 · 29263-94-3(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 2917.19.7050
- risk_code
- 34-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Chemistry & industry
Applications
UsesDiethyl 2-bromo-2-methylmalonate was used to investigate the 1,2,2,6,6-pentamethylpiperidine as an effective reducing agent for the radical chain conversion of primary bromoesters to the corresponding esters. It was used in the synthesis of polystyrene macroinitiator via atom transfer radical polymerization.
General DescriptionDiethyl 2-bromo-2-methylmalonate acts as initiator during the atom transfer radical polymerization of methyl methacrylate.
Upstream & downstream products
Downstream products
Suppliers93 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd
Related reactions
29 records
Compound notes
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